5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide

C15H13BrN2O6S — CID 126756539

IUPAC5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O6S/c16-13-6-5-12(24-13)14(19)17-9-1-3-10(4-2-9)25(21,22)18-11-7-8-23-15(11)20/h1-6,11,18H,7-8H2,(H,17,19)
InChIKeyKLXNFKPDCMUJEG-UHFFFAOYSA-N
MW429.25 g/mol
LogP1.89
Rot. Bonds5

About 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide (PubChem CID 126756539) has the molecular formula C15H13BrN2O6S and a molecular weight of 429.25 g/mol. Its IUPAC name is 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
PubChem CID126756539
Molecular FormulaC15H13BrN2O6S
Molecular Weight429.25 g/mol
Exact Mass427.97
IUPAC Name5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1ccc(Br)o1
InChIInChI=1S/C15H13BrN2O6S/c16-13-6-5-12(24-13)14(19)17-9-1-3-10(4-2-9)25(21,22)18-11-7-8-23-15(11)20/h1-6,11,18H,7-8H2,(H,17,19)
InChIKeyKLXNFKPDCMUJEG-UHFFFAOYSA-N
XLogP1.89
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dibromo-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]furan-2-carboxamide
CID 126737148
2-fluoro-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318477
4-methyl-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]thiophene-2-carboxamide
CID 126756514
4-ethoxy-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]benzamide
CID 78318533
4-(methylamino)-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 135183680
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]heptanamide
CID 78318340
2-(3-fluorophenyl)-N-[4-[[(3S)-2-oxooxolan-3-yl]sulfamoyl]phenyl]acetamide
CID 135149146
5-bromo-N-[4-(ethylsulfamoyl)phenyl]furan-2-carboxamide
CID 17070827
5-bromo-N-[4-(2-methylpropylsulfamoyl)phenyl]furan-2-carboxamide
CID 17105146
4-cyano-N-(2-oxooxolan-3-yl)benzenesulfonamide
CID 43822806
5-bromo-N-(4-hydroxyphenyl)furan-2-carboxamide
CID 973213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide (CID 126756539) is 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2CCOC2=O)cc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide?
The InChIKey is KLXNFKPDCMUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O6S/c16-13-6-5-12(24-13)14(19)17-9-1-3-10(4-2-9)25(21,22)18-11-7-8-23-15(11)20/h1-6,11,18H,7-8H2,(H,17,19).
What are the key properties of 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide has a molecular weight of 429.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(2-oxooxolan-3-yl)sulfamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 126756539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).